CAS No.96107-95-8,Calix[6]arene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	96107-95-8
Name:	Calix[6]arene
Article Data:	18

Formula:	C₄₂H₃₆O₆
Molecular Weight:	636.744
Synonyms:	Calix[6]arene;Hexahydroxycalix[6]arene;
Density:	1.302 g/cm³
Melting Point:	395 °C(lit.)
Boiling Point:	788.8 °C at 760 mmHg
Flash Point:	316.8 °C
Solubility:	0.180g/100g of water @ 25°C. Miscible with alcohol, chloroform, ether, carbon disulfide, acetone, oils, carbon tetrachloride and glacial acetic acid.
Appearance:	White to beige powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	22-24/25
PSA:	121.38000
LogP:	7.77840

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Specification

The Calix[6]arene with CAS registry number of 96107-95-8 is also known as Calix[6]arene. The systematic name and product name are the same. It belongs to product categories of Calixarenes; Functional Materials; Macrocycles for Host-Guest Chemistry; Chelation/Complexation Compounds; Synthetic Reagents. In addition, the formula is C₄₂H₃₆O₆ and the molecular weight is 636.73. What's more, this chemical is a white to beige powder and should be sealed in cool, dry room away from oxidants.

Physical properties about Calix[6]arene are: (1)ACD/LogP: 8.06; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 8.06; (4)ACD/LogD (pH 7.4): 8.05; (5)ACD/BCF (pH 5.5): 786246.69; (6)ACD/BCF (pH 7.4): 774195.56; (7)ACD/KOC (pH 5.5): 577545.5; (8)ACD/KOC (pH 7.4): 568693.19; (9)#H bond acceptors: 6; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.688; (13)Molar Refractivity: 186.51 cm³; (14)Molar Volume: 488.7 cm³; (15)Surface Tension: 61.8 dyne/cm; (16)Density: 1.302 g/cm³; (17)Flash Point: 316.8 °C; (18)Enthalpy of Vaporization: 118.74 kJ/mol; (19)Boiling Point: 788.8 °C at 760 mmHg; (20)Vapour Pressure: 7.9E-26 mmHg at 25 °C.

Preparation of Calix[6]arene: it is prepared by reaction of 5,11,17,23,29,35-hexa-tert-butyl-37,38,39,40,41,42-hexahydroxy-calix(6)arene. The reaction needs reagents phenol, AlCl₃ and solvent toluene at ambient temperature for 1 hour. The yield is about 89%.

Calix[6]arene is prepared by reaction of 5,11,17,23,29,35-hexa-tert-butyl-37,38,39,40,41,42-hexahydroxy-calix(6)arene.

Uses of Calix[6]arene: it is used to produce p-nitrocalix[6]arene. The reaction occurs with reagents KNO₃, AlCl₃ and solvent acetonitrile at 0 °C for 2 hours. The yield is about 89%.

Uses of Calix[6]arene is used to produce p-nitrocalix[6]arene.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. Avoid contact with skin and eyes. After using it, take off immediately all contaminated clothing. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. SMILES: Oc1c7cccc1Cc2cccc(c2O)Cc3cccc(c3O)Cc4cccc(c4O)Cc5c(O)c(ccc5)Cc6cccc(c6O)C7
2. InChI: InChI=1/C42H36O6/c43-37-25-7-1-8-26(37)20-28-10-3-12-30(39(28)45)22-32-14-5-16-34(41(32)47)24-36-18-6-17-35(42(36)48)23-33-15-4-13-31(40(33)46)21-29-11-2-9-27(19-25)38(29)44/h1-18,43-48H,19-24H2
3. InChIKey: JLSWUKWFQCVKCL-UHFFFAOYAO
4. Std. InChI: InChI=1S/C42H36O6/c43-37-25-7-1-8-26(37)20-28-10-3-12-30(39(28)45)22-32-14-5-16-34(41(32)47)24-36-18-6-17-35(42(36)48)23-33-15-4-13-31(40(33)46)21-29-11-2-9-27(19-25)38(29)44/h1-18,43-48H,19-24H2
5. Std. InChIKey: JLSWUKWFQCVKCL-UHFFFAOYSA-N